5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid

C11H20N4O4 — CID 503256

IUPAC5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC(=O)NCC1C(N)C(C(=O)O)CN1C(=O)N(C)C
InChIInChI=1S/C11H20N4O4/c1-6(16)13-4-8-9(12)7(10(17)18)5-15(8)11(19)14(2)3/h7-9H,4-5,12H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyOLAPDGQXFFMKGV-UHFFFAOYSA-N
MW272.31 g/mol
LogP-1.48
Rot. Bonds3

About 5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid

5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 503256) has the molecular formula C11H20N4O4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID503256
Molecular FormulaC11H20N4O4
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC(=O)NCC1C(N)C(C(=O)O)CN1C(=O)N(C)C
InChIInChI=1S/C11H20N4O4/c1-6(16)13-4-8-9(12)7(10(17)18)5-15(8)11(19)14(2)3/h7-9H,4-5,12H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyOLAPDGQXFFMKGV-UHFFFAOYSA-N
XLogP-1.48
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 503256) is 5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid is CC(=O)NCC1C(N)C(C(=O)O)CN1C(=O)N(C)C.
What is the InChIKey of 5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OLAPDGQXFFMKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-6(16)13-4-8-9(12)7(10(17)18)5-15(8)11(19)14(2)3/h7-9H,4-5,12H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid?
5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of -1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 503256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).